SCHEMBL6571650

SCHEMBL6571650

CCCC(CCC)C(=O)N[C@@H](COP(=O)(O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
GPR88 Q9GZN0 12/20 0.45
MMP1 P03956 1/20 0.43
PIN1 Q13526 1/20 0.42
RIPK1 Q13546 1/20 0.42
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6571523 0.90 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL6569331 0.82 GPR88 (0.45) GPR88
SCHEMBL6570204 0.82 LPAR1 (0.46) PIN1RIPK1
SCHEMBL6569865 0.81 SMN1; SMN2 (0.46) PIN1RIPK1
SCHEMBL6568413 0.81 PIN1 (0.48) PIN1RIPK1
SCHEMBL6568481 0.80 LPAR3 (0.52)
SCHEMBL6568557 0.79 PIN1 (0.44) PIN1RIPK1
SCHEMBL6568701 0.79 LPAR3 (0.56)
SCHEMBL6568402 0.78 PIN1 (0.62) PIN1
SCHEMBL6570288 0.78 LPAR3 (0.58)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP claimed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP claimed